1-phenoxy-3-[4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]propan-2-ol

C25H29N5O2 — CID 86934748

IUPAC1-phenoxy-3-[4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]propan-2-ol
SMILESOC(COc1ccccc1)CN1CCN(c2nc(-c3ccncc3)nc3c2CCC3)CC1
InChIInChI=1S/C25H29N5O2/c31-20(18-32-21-5-2-1-3-6-21)17-29-13-15-30(16-14-29)25-22-7-4-8-23(22)27-24(28-25)19-9-11-26-12-10-19/h1-3,5-6,9-12,20,31H,4,7-8,13-18H2
InChIKeyDNOKQTCZHVPPOP-UHFFFAOYSA-N
MW431.54 g/mol
LogP2.59
Rot. Bonds7

About 1-phenoxy-3-[4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]propan-2-ol

1-phenoxy-3-[4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]propan-2-ol (PubChem CID 86934748) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 1-phenoxy-3-[4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-phenoxy-3-[4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]propan-2-ol
PubChem CID86934748
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC Name1-phenoxy-3-[4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]propan-2-ol
SMILESOC(COc1ccccc1)CN1CCN(c2nc(-c3ccncc3)nc3c2CCC3)CC1
InChIInChI=1S/C25H29N5O2/c31-20(18-32-21-5-2-1-3-6-21)17-29-13-15-30(16-14-29)25-22-7-4-8-23(22)27-24(28-25)19-9-11-26-12-10-19/h1-3,5-6,9-12,20,31H,4,7-8,13-18H2
InChIKeyDNOKQTCZHVPPOP-UHFFFAOYSA-N
XLogP2.59
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-phenoxy-3-[4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]propan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

(2S)-1-phenoxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol
CID 1485766
4-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 166225634
1-(4-phenoxyphenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol
CID 42909864
(2R)-1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 735579
(2S)-1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 2062296
1-(4-phenylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 2940158
4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)thiomorpholine
CID 53192919
[4-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-pyrimidin-4-ylmethanone
CID 56702625
(2S)-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-phenoxypropan-2-ol
CID 95317688
1-(4-methoxyphenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol
CID 4041027
1-[(2R)-2-hydroxy-3-phenoxypropyl]-4-methylpiperidin-4-ol
CID 59079798
1-(4-methoxyphenoxy)-3-[4-[6-methyl-5-[(3-methylphenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]propan-2-ol
CID 42844421

Frequently Asked Questions

What is the IUPAC name of 1-phenoxy-3-[4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-phenoxy-3-[4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]propan-2-ol (CID 86934748) is 1-phenoxy-3-[4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-phenoxy-3-[4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-phenoxy-3-[4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]propan-2-ol is OC(COc1ccccc1)CN1CCN(c2nc(-c3ccncc3)nc3c2CCC3)CC1.
What is the InChIKey of 1-phenoxy-3-[4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]propan-2-ol?
The InChIKey is DNOKQTCZHVPPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c31-20(18-32-21-5-2-1-3-6-21)17-29-13-15-30(16-14-29)25-22-7-4-8-23(22)27-24(28-25)19-9-11-26-12-10-19/h1-3,5-6,9-12,20,31H,4,7-8,13-18H2.
What are the key properties of 1-phenoxy-3-[4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]propan-2-ol?
1-phenoxy-3-[4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]propan-2-ol has a molecular weight of 431.54 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenoxy-3-[4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 86934748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).